Chemical Properties of Sebacic acid, 2,3-dimethylphenyl nonyl ester

InChI

InChI=1S/C27H44O4/c1-4-5-6-7-10-13-16-22-30-26(28)20-14-11-8-9-12-15-21-27(29)31-25-19-17-18-23(2)24(25)3/h17-19H,4-16,20-22H2,1-3H3

InChI Key

FNIHVJFIEBXMIW-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

432.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.77; 1303.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.38560e+01
Coefficient B			2.26136e+00
Coefficient C			-1.15292e-03
Coefficient D			1.71600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	558.77	J/mol×K	273.00	Calculated Property
Cp,gas	687.18	J/mol×K	353.78	Calculated Property
Cp,gas	802.91	J/mol×K	434.56	Calculated Property
Cp,gas	906.52	J/mol×K	515.33	Calculated Property
Cp,gas	998.54	J/mol×K	596.11	Calculated Property
Cp,gas	1079.52	J/mol×K	676.89	Calculated Property
Cp,gas	1150.01	J/mol×K	757.67	Calculated Property
Cp,gas	1210.53	J/mol×K	838.44	Calculated Property
Cp,gas	1261.65	J/mol×K	919.22	Calculated Property
Cp,gas	1303.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003177; 0.0000277]	Pa×s	[530.17; 832.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47751e+01
Coefficient B			3.56310e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			530.17
Temperature range, max.			832.35
η	0.0003177	Pa×s	530.17	Calculated Property
η	0.0002129	Pa×s	563.75	Calculated Property
η	0.0001492	Pa×s	597.32	Calculated Property
η	0.0001086	Pa×s	630.90	Calculated Property
η	0.0000817	Pa×s	664.47	Calculated Property
η	0.0000631	Pa×s	698.05	Calculated Property
η	0.0000499	Pa×s	731.62	Calculated Property
η	0.0000403	Pa×s	765.20	Calculated Property
η	0.0000332	Pa×s	798.77	Calculated Property
η	0.0000277	Pa×s	832.35	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,3-dimethylphenyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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